7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid

C12H11BrN2O2 — CID 172730181

IUPAC7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(C)nc2cc(Br)cnc12
InChIInChI=1S/C12H11BrN2O2/c1-3-8-10(12(16)17)6(2)15-9-4-7(13)5-14-11(8)9/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyHRNGMZWQPHRUDT-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.96
Rot. Bonds2

About 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid

7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid (PubChem CID 172730181) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid
PubChem CID172730181
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(C)nc2cc(Br)cnc12
InChIInChI=1S/C12H11BrN2O2/c1-3-8-10(12(16)17)6(2)15-9-4-7(13)5-14-11(8)9/h4-5H,3H2,1-2H3,(H,16,17)
InChIKeyHRNGMZWQPHRUDT-UHFFFAOYSA-N
XLogP2.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid (CID 172730181) is 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid is CCc1c(C(=O)O)c(C)nc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is HRNGMZWQPHRUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-3-8-10(12(16)17)6(2)15-9-4-7(13)5-14-11(8)9/h4-5H,3H2,1-2H3,(H,16,17).
What are the key properties of 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid?
7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 295.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 172730181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).